SCHEMBL2161069

SCHEMBL2161069

O=COc1ccc(C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ACMSD Q8TDX5 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GAA P10253 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4600867 0.81 KDM1A (0.41) KCNH2RAB9ANPC1POLB
SCHEMBL2586793 0.81 HRH3 (0.44) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL4540000 0.81 HRH3 (0.44) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL6002586 0.79 HRH3 (0.43) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL6704196 0.77 HAO1 (0.59) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL21752934 0.77 HAO1 (0.48) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL15260520 0.76 HDAC8 (0.52) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL28584923 0.76 HDAC8 (0.52) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL6275125 0.76 HDAC8 (0.52) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL42782 0.76 HDAC8 (0.52) HAO1HRH3KCNH2MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102174035-A Aromatic dihydrazide type PLK1 (Polo-like Kinase 1) inhibitor and applications thereof UNIV CHINA PHARMA 2011-09-07 CN claimed
US-7985502-B2 Containing formic ester additive; cycling properties, electrical capacity, storage during charging UBE INDUSTRIES, LTD. (JP) 2011-07-26 US claimed
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP claimed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US claimed
CN-1934743-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2007-03-21 CN claimed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP claimed
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-9412487-B2 Silver-(conjugated compound) composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-09 US disclosed
CN-103596431-A Pyrimidine cyclohexyl glucocorticoid receptor modulators CORCEPT THERAPEUTICS INC 2014-02-19 CN disclosed
US-20140001422-A1 COMPOSITION OF SILVER-CONJUGATED COMPOUND COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-02 US disclosed
EP-2478981-A1 SILVER-(CONJUGATED COMPOUND) COMPLEX Sumitomo Chemical Co., Ltd (JP) 2012-07-25 EP disclosed
US-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 US disclosed
EP-0889097-A1 PHTHALOCYANINE COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND OPTICAL RECORDING MEDIUM MADE USING THE SAME NIPPON SHOKUBAI CO., LTD. (JP) 1999-01-07 EP disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 EP disclosed
EP-0465048-B1 Carboxylic acid ester compound, liquid crystal compound, liquid crystal composition, liquid crystal element and light modulation method MITSUI PETROCHEMICAL IND (JP) 1996-09-11 EP disclosed
EP-0465048-A2 Carboxylic acid ester compound, liquid crystal compound, liquid crystal composition, liquid crystal element and light modulation method MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-01-08 EP disclosed
EP-0022882-A1 Anisotropic carboxylic-acid-4-cyclohexylphenyl esters and mixtures of liquid crystals containing them MERCK PATENT GmbH (DE) 1981-01-28 EP disclosed